methyl 2-[1-[2-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-ethyl]indol-3-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-ethyl]indol-3-yl]ethanoate Openeye Name: methyl 2-[1-[2-(4-carbamimidoylanilino)-2-oxo-ethyl]indol-3-yl]acetate CAS Name: 2-[1-[2-(4-carbamimidoylanilino)-2-oxoethyl]-3-indolyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(4-carbamimidoylanilino)-2-oxoethyl]indol-3-yl]acetate Traditional Name: 2-[1-[2-(4-amidinoanilino)-2-keto-ethyl]indol-3-yl]acetic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H20N4O3/c1-27-19(26)10-14-11-24(17-5-3-2-4-16(14)17)12-18(25)23-15-8-6-13(7-9-15)20(21)22/h2-9,11H,10,12H2,1H3,(H3,21,22)(H,23,25)